Molecular Details
DICL_CP_0329257
- N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylacetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0329257
PubChem CID
Molecular Formula
C19H19N3O Molecular Weight
305.381 g/mol
Synonyms/Alias
InChI Key
YOYBGBWJZSVHHD-UHFFFAOYSA-N
InChI
InChI=1S/C19H19N3O/c1-15-12-18(20-19(23)13-16-8-4-2-5-9-16)22(21-15)14-17-10-6-3-7-11-17/h2-12H,13-1...
IUPAC Name
N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylacetamide
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
42 44 0 0 0 0 0 0 0 0999 V2000
-1.2351 -4.7113 -0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0245 -3.2505 -0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7037 -2.518...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 11/SUR1
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 11400 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
Not specified
Temperature
37 °C
Test Method
Flux assay (Thallium ion)
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
23
Rotatable Bonds
5
logP
3.421
Complexity
91.2837
TPSA (Ų)
46.92
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
3